二维铁电材料ABP2X6内在极高的负泊松比

Recently, ferroelectric materials have attracted considerable research attention. In particular, two dimensional (2D) ferroelectric materials have been considered as most crucial for next-generation circuit designs because of their application as novel electric memory devices. However, a 2D ferroelectric material is very rare. The ferroelectric materials with the form ABP₂X₆ (A = Ag, Cu; B = Bi, In; X = S, Se) are of interest because of their ferroelectric property maintained in their ultrathin structures. Within the ABP₂X₆ monolayer, the P―P bonds form the pillars that hold the top and bottom X planes, while the off-center A―B atoms between the X layers induce a spontaneous ferroelectric polarization. If the two off-center A―B sites are equally aligned, this would lead to the appearance of the paraelectric state. Such intriguing structures must impart novel mechanical properties to the materials. Until now, there has been no report on the mechanical properties of monolayer ABP₂X₆. Based on first-principles calculations, we studied the structural, electronic, mechanical as well as the electromechanical coupling properties of monolayer ABP₂X₆ (A = Ag, Cu; B = Bi, In; X = S, Se). We found that they are all semiconductors with wide bandgaps of 2.73, 2.17, 3.00, and 2.31 eV for CuInP₂Se₆, CuBiP₂Se₆, AgBiP₂S₆, and AgBiP₂Se₆, respectively, which are calculated based on the Heyd-Scuseria-Ernzerhof (HSE) exchange correlation functional model. The conduction band minimum is mainly from p orbitals of X and B atoms, whereas the valence band maximum is due to the hybridization of the p orbital of X atoms and the d orbital of A atoms. Moreover, there are three short and three long A/B―X bonds due to the A―B off-center displacement. Together with the d-p orbital hybridization, the main reason for the distorted ferroelectric structure in ABP₂X₆ monolayers is the Jahn-Teller effect. ABP₂X₆ monolayers are predicted to be a new class of auxetic materials with an out-of-plane negative Poisson's ratio, i.e., the values of the negative Poisson's ratio are in the order AgBiP₂S₆ (−0.805) < AgBiP₂Se₆ (−0.778) < CuBiP₂Se₆ (−0.670) < CuInP₂S₆ (−0.060). This is mainly due to the tensile strain applied in the x/y direction enlarging the angle between P―P bonds and top layer X atoms, thereby enhancing the bucking height of monolayer ABP₂X₆. Moreover, external strain has a significant impact on the A―B off-center displacement, rendering an out-of-plane piezoelectric polarization. The values of e₁₃ for CuInP₂S₆, CuBiP₂Se₆, AgBiP₂S₆, AgBiP₂Se₆ monolayers are calculated to be −3.95 × 10⁻¹², −5.68 × 10⁻¹², −3.94 × 10⁻¹², −2.71 × 10⁻¹² C∙m⁻¹, respectively, which are comparable to the only experimentally confirmed 2D out-of-plane piezoelectric Janus system (piezoelectric coefficient = −3.8 × 10⁻¹² C∙m⁻¹). This unusual auxetic behavior, ferroelectric polarization, and the electromechanical coupling in monolayer ABP₂X₆ could potentially lead to enormous technologically important applications in nanoelectronics, nanomechanics, and piezoelectrics.     

基体电导率对0-3型铁电复合材料高压极化行为及损耗的影响

提出了一个0-3型聚合物基铁电复合材料的直流高压极化模型.模型中考虑了聚合物/铁电陶瓷界面处自由电荷的积聚及极化初始时刻的真实情况,利用拉普拉斯静电场方程,并结合边界条件,得到了直流高压极化过程中复合材料的极化强度、界面电流密度等随时间的演化方程,同时得到介电常数、介质损耗等物理特性的表达式.此外,实验制备了分别以环氧树脂E-44和铁电共聚物P(VDF-TrFE)为基体的两种0-3型铁电复合材料.从理论和实验两方面研究了基体电导率对极化行为以及介质损耗的影响.两方面结果均表明：随基体电导率增加,极化时间缩短,陶瓷相的极化强度及复合材料的整体电性能提高,但是漏电流及介质损耗增加.而且实验结果与直流高压极化模型的预测结果符合. 关键词： 铁电复合材料 电导率 极化 介质损耗     

过量PbO对PLZT（14／0／100）薄膜结构和性能的影响

采用Ｘ射线结构分析方法，对磁控溅射法制备的含过量Ｐｂ０的ＰＬＺＴ（１４／０／１００）薄膜在退火过程中的晶化行为进行了研究。结果表明，薄膜中过量的Ｐｂ０具有促进钙钛矿结构形成、降低晶化温度，并且抑制焦绿石相生长的作用。铁电性能测试结果表明，Ｐｂ０的过量能改善铁电薄膜的耐击穿性，但过量太多的Ｐｂ０会导致薄膜铁电性能变坏。     

光化学溶胶-凝胶制备PLZT铁电薄膜及其光电特性

为了降低PLZT铁电薄膜的结晶温度,使用溶胶-凝胶法配合紫外光辐照的光化学工艺,在单晶硅基板上低温制备了PLZT铁电薄膜.经过紫外辐照过的凝胶膜可以在400℃促使PLZT获得良好的铁电性能,剩余极化强度为12.3μC/cm2.紫外辐照过的薄膜可以在低温下有效地分解金属醇盐,形成活性金属氧化物,保证材料低温结晶.辐照过程中产生的臭氧可以带走薄膜中的残炭,使得薄膜具有良好的铁电性能.低温制备的PLZT铁电薄膜获得了稳定的光电流和较好的光电转化效率.     

Pb(Zr,Sn,Ti)O3反铁电陶瓷的低温相变扩散与极化弛豫

用弱场介电温谱、热释电流谱、强场电滞回线和变温X射线衍射谱研究了微量La掺杂Pb(Zr ,Sn ,Ti)O3(PZST)反铁电 (AFEt)陶瓷在 - 10 0— 180℃温区内的结构与电学特性 .弱场介电温谱显示 ,AFEt陶瓷在低温段(- 10 0— 5 0℃ )呈现介电频率弥散 (0 1— 10 0kHz)和扩散型相变的特征 ,而变温X射线衍射谱却表明材料在这一温区内保持四方相结构 ;低温下经强场作用后 ,AFEt被诱导为亚稳三方铁电态 ,介电频率弥散消失 .基于多元复杂化合物的组分起伏理论 ,讨论了PZSTAFEt陶瓷的相变扩散与极化弛豫新现象 .     

陶瓷/VDF-TrFE 0-3型铁电复合物的三阶非线性介电系数

在自建的非线性介电测试装置上测得了Ｐ笔ＶＤＦ－ＴｒＦＥ共聚物形成的０－３型铁电复合物厚片的三阶非线性介电系数ε３。研究发现,三种复合物的ε３都随陶瓷组分含量的上升而增大,测试场强升高,测得的ε３值减小,但对高陶瓷含量（Φ〉０．０４）的ＢＴ／ＶＤＦ－ＴｒＦＥ和ＰＺ／ＶＤＦ－ＴｒＦＥ复合物则在６ＭＶ／ｍ场强下出现极小值,二相都被预极化的复合物小于仅陶瓷相被预极化的ε３值,ＰＺＴ／ＶＤＦ－ＴｒＦＥ复合物     

强电流铁电阴极电性能参数与发射结果的关系研究

 在实验结果的基础上,从理论上阐述了材料的电滞回线、介电常数、压电常数等性能对电流发射性能的明显影响,并通过材料的掺杂改性提高材料的性能参数,从而达到了提高发射电流密度的目的。     

反斯托克斯拉曼光谱在BaTiO_3铁电相变研究中的应用

从理论上讨论了一阶和二阶斯托克斯与反斯托克斯拉曼散射截面的温度依赖关系;在２９３Ｋ至４０１Ｋ的温度范围内,测量了ＢａＴｉＯ３单晶斯托克斯和反斯托克斯过程的偏振拉曼光谱;通过对ＢａＴｉＯ３单晶斯托克斯和反斯托克斯拉曼光谱的综合分析,证实在Ｘ（ＺＺ）Ｙ几何配置下测量到的位于２７５和５１４ｃｍ－１处的强峰为一阶拉曼光谱。此结果支持了ＢａＴｉＯ３铁电相变机制的有序—无序模型。     

非易失铁电存储器的进展和若干问题

铁电薄膜与半导体集成,产生了新一代非易失存储器。它的功耗之小,写入速度之快,可重写次数之多以及抗辐照能力之强是目前任何一种半导体存储器所不及的。文章介绍了非易失铁电存储器的原理、特点、进展和应用,并讨论了这类存储器在进入大规模商业生产时所面临的若干材料、工艺和器件失效等问题。